Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



1066 entries found
with the tags:
  • Mai Sebastian, Gattuso Hugo, Monari Antonio, Gonzalez Leticia
    Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems
    FRONTIERS IN CHEMISTRY 6, 495 (2018)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Nonadiabatic dynamics: The SHARC approach
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 8, e1370 (2018)
  • Holec David, Kostoglou Nikolaos, Tampaxis Christos, Babic Biljana, Mitterer Christian, Rebholz Claus
    Theory-guided metal-decoration of nanoporous carbon for hydrogen storage applications
    SURFACE & COATINGS TECHNOLOGY 351, 42 (2018)
  • Dhar Himadri Shekhar, Zens Matthias, Krimer Dmitry O., Rotter Stefan
    Variational Renormalization Group for Dissipative Spin-Cavity Systems: Periodic Pulses of Nonclassical Photons from Mesoscopic Spin Ensembles
    PHYSICAL REVIEW LETTERS 121, 133601 (2018)
  • Schnappinger Thomas, Marazzi Marco, Ma Sebastian, Monari Antonio, Gonzalez Leticia, de Vivie-Riedle Regina
    Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4530 (2018)
  • Silverstein Nechama, Sliman Alaa, Stockner Thomas, Kanner Baruch I.
    Both reentrant loops of the sodium-coupled glutamate transporters contain molecular determinants of cation selectivity
    JOURNAL OF BIOLOGICAL CHEMISTRY 293, 14200 (2018)
  • Salzillo Tommaso, Giunchi Andrea, Masino Matteo, Bedoya-Martinez Natalia, Della Valle Raffaele G., Brillante Aldo, Girlando Alberto, Venuti Elisabetta
    An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene
    CRYSTAL GROWTH & DESIGN 18, 4869 (2018)
  • Salzillo T., d'Agostino S., Rivalta A., Giunchi A., Brillante A., Della Valle R. G., Bedoya-Martinez N., Zojer E., Grepioni F., Venuti E.
    Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 18422 (2018)
  • Bedoya-Martinez Natalia, Giunchi Andrea, Salzillo Tommaso, Venuti Elisabetta, Della Valle Raffaele Guido, Zojer Egbert
    Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 4380 (2018)
  • Mair Alexander, Tung Clarion, Cacciuto Angelo, Coluzza Ivan
    Translocation of a globular polymer through a hairy pore
    JOURNAL OF MOLECULAR LIQUIDS 265, 603 (2018)
  • Exl Lukas
    A magnetostatic energy formula arising from the L-2-orthogonal decomposition of the stray field
    JOURNAL OF MATHEMATICAL ANALYSIS AND APPLICATIONS 467, 230 (2018)
  • Kruger Michael, Lemell Christoph, Wachter Georg, Burgdoerfer Joachim, Hommelhoff Peter
    Attosecond physics phenomena at nanometric tips
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 51, 172001 (2018)
  • Duerrbeck Stefan, Hollerer Michael, Thurner Christoph W., Redinger Josef, Sterrer Martin, Bertel Erminald
    Correlation length and dimensional crossover in a quasi-one-dimensional surface system
    PHYSICAL REVIEW B 98, 035436 (2018)
  • Held M., Wiesenberger M., Kube R., Kendl A.
    Non-Oberbeck-Boussinesq zonal flow generation
    NUCLEAR FUSION 58, 104001 (2018)
  • Titvinidze Irakli, Sorantin Max E., Dorda Antonius, von der Linden Wolfgang, Arrigoni Enrico
    Charge redistribution in correlated heterostuctures within nonequilibrium real-space dynamical mean-field theory
    PHYSICAL REVIEW B 98, 035146 (2018)
  • Tubiana Luca, Jurasek Miroslav, Coluzza Ivan
    Implementing efficient concerted rotations using Mathematica and C code
    EUROPEAN PHYSICAL JOURNAL E 41, 87 (2018)
  • Lahnsteiner Jonathan, Kresse Georg, Heinen Jurn, Bokdam Menno
    Finite-temperature structure of the MAPbI(3) perovskite: Comparing density functional approximations and force fields to experiment
    PHYSICAL REVIEW MATERIALS 2, 073604 (2018)
  • Borbely S., Tong X-M, Nagele S., Feist J., Brezinova I, Lackner F., Nagy L., Tokesi K., Burgdoerfer J.
    Electron correlations in the antiproton energy-loss distribution in He
    PHYSICAL REVIEW A 98, 012707 (2018)
  • Wruss Elisabeth, Zojer Egbert, Hofmann Oliver T.
    Distinguishing between Charge-Transfer Mechanisms at Organic/Inorganic Interfaces Employing Hybrid Functionals
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 14640 (2018)
  • Harivyasi Shashank S., Hofmann Oliver T., Ilyas Nahid, Monti Oliver L. A., Zojer Egbert
    van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu(111)
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 14621 (2018)
  • Jayaraman Kumaresan, Morley Alex N., Szollosi Daniel, Wassenaar Tsjerk A., Sitte Harald H., Stockner Thomas
    Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain
    PLOS COMPUTATIONAL BIOLOGY 14, e1006229 (2018)
  • Simbrunner Josef, Simbrunner Clemens, Schrode Benedikt, Roethel Christian, Bedoya-Martinez Natalia, Salzmann Ingo, Resel Roland
    Indexing of grazing-incidence X-ray diffraction patterns: the case of fibre-textured thin films
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 74, 373 (2018)
  • Weinbub Josef, Ballicchia Mauro, Nedjalkov Mihail
    Electron Interference in a Double-Dopant Potential Structure
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 12, 1800111 (2018)
  • Burian Max, Rigodanza Francesco, Demitri Nicola, Dordevic Luka, Marchesan Silvia, Steinhartova Tereza, Letofsky-Papst Ilse, Khalakhan Ivan, Mourad Eleonore, Freunberger Stefan A., Amenitsch Heinz, Prato Maurizio, Syrgiannis Zois
    Inter-Backbone Charge Transfer as Prerequisite for Long-Range Conductivity in Perylene Bisimide Hydrogels
    ACS NANO 12, 5800 (2018)
  • Boehm Alexander, Meusemann Karen, Misof Bernhard, Pass Guenther
    Hypothesis on monochromatic vision in scorpionflies questioned by new transcriptomic data
    SCIENTIFIC REPORTS 8, 9872 (2018)
  • Zojer Egbert
    Electrostatic vs. quantum-mechanical coupling in self-assembled monolayers and its impact on ballistic transport through self-assembled monolayers
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, (2018)
  • Zobel J. Patrick, Heindl Moritz, Nogueira Juan J., Gonzalez Leticia
    Vibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-Nitronaphthalene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 3205 (2018)
  • Goger Brigitta, Rotach Mathias W., Gohm Alexander, Fuhrer Oliver, Stiperski Ivana, Holtslag Albert A. M.
    The Impact of Three-Dimensional Effects on the Simulation of Turbulence Kinetic Energy in a Major Alpine Valley
    BOUNDARY-LAYER METEOROLOGY 168, 1 (2018)
  • Nedjalkov Mihail, Ellinghaus Paul, Weinbub Josef, Sadi Toufik, Asenov Asen, Dimov Ivan, Selberherr Siegfried
    Stochastic analysis of surface roughness models in quantum wires
    COMPUTER PHYSICS COMMUNICATIONS 228, 30 (2018)
  • Tripathi Mukesh, Markevich Alexander, Boettger Roman, Facsko Stefan, Besley Elena, Kotakoski Jani, Susi Toma
    Implanting Germanium into Graphene
    ACS NANO 12, 4641 (2018)

Search results 31 until 60 of 1066